From the 7 of 156 papers with an AI index.
16 citations
- Kyoto UniversityJP61 papers
- The University of TokyoJP59 papers
- Nagoya UniversityJP54 papers
- Université Paris-SaclayFR48 papers
- University of TsukubaJP48 papers
- Kobe UniversityJP47 papers
- Nanjing UniversityCN47 papers
- National Tsing Hua UniversityTW47 papers
- Waseda UniversityJP47 papers
- Deutsches Elektronen-Synchrotron DESYDE46 papers
- European Organization for Nuclear ResearchCH46 papers
- Heidelberg UniversityDE46 papers
5 papers · 1 filter
Deep learning of committor and explainable artificial intelligence analysis for identifying reaction coordinates
Toshifumi Mori, Kei-ichi Okazaki, Kang Kim +1
The paper presents a framework that uses deep neural networks to learn the committor function for identifying reaction coordinates in complex molecular systems, and applies explain…
Sustainable photocatalytic CO2 conversion using microalgae as a carbon-negative scavenger
Ho Truong Nam Hai, Augusto Ducati Luchessi, Makoto Arita +2
Photocatalytic CO2 conversion driven by solar energy is a highly promising approach in addressing rising atmospheric CO2 levels; however, its practical application remains limited…
A sustainable photocatalytic pathway for concurrent hydrogen and value-added chemical production utilizing microalgae as bio-scavenger in water
Ho Truong Nam Hai, Augusto Ducati Luchessi, Kaveh Edalati
Microalgae are an abundant bioorganic material source and play a significant role in life on Earth by conducting photosynthesis for carbon dioxide (CO2) capture and its conversion…
IEPDYN: Integral-equation formalism of population dynamics
Kento Kasahara, Ryo Okabe, Chia-en A. Chang +2
We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction d…
Deep learning of committor for ion dissociation and interpretable analysis of solvent effects using atom-centered symmetry functions
Kenji Okada, Kazushi Okada, Kei-ichi Okazaki +3
The association and dissociation of ion pairs in water are fundamental to physical chemistry, yet their reaction coordinates are complex, involving not only interionic distance but…